2-(benzimidazol-1-yl)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide
Formula:C16H12N4OClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(benzimidazol-1-yl)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(benzimidazol-1-yl)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C16H12N4OClF |
| Smiles | O=C(Cn1c(cccc2)c2nc1)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C16H12ClFN4O/c17-12-4-3-5-13(18)11(12)8-20-21-16(23)9-22-10-19-14-6-1-2-7-15(14)22/h1-8,10H,9H2,(H,21,23) |
| InChIK | BJWKQWGQCAWFAI-UHFFFAOYSA-N |
| TotalMolweight | 330.749 |
| Molweight | 330.749 |
| MonoisotopicMass | 330.068366 |
| CLogP | 3.1354 |
| CLogS | -4.112 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 245.08 |
| Relative PSA | 0.21972 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 5.0532 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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